CID 157010076

(2e,6e,8e,10e,12z,14e,16e,18e,20z,22e,24e,26z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-1-ol

Structural Information

Molecular Formula
C40H56O
SMILES
CC(=CCC/C(=C\C=C\C(=C\C=C/C(=C/C=C/C=C(\C)/C=C\C=C(/C)\C=C\C=C(/C)\CC/C=C(\C)/CO)/C)\C)/C)C
InChI
InChI=1S/C40H56O/c1-33(2)18-12-21-36(5)24-15-27-37(6)25-13-22-34(3)19-10-11-20-35(4)23-14-26-38(7)28-16-29-39(8)30-17-31-40(9)32-41/h10-11,13-16,18-20,22-29,31,41H,12,17,21,30,32H2,1-9H3/b11-10+,22-13-,23-14-,27-15+,28-16+,34-19+,35-20+,36-24-,37-25+,38-26+,39-29+,40-31+
InChIKey
IFTRFNLCKUZSNG-VKELBHSXSA-N
Compound name
(2E,6E,8E,10E,12Z,14E,16E,18E,20Z,22E,24E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

552.4331 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.44038 235.8
[M+Na]+ 575.42232 242.2
[M+NH4]+ 570.46692 238.2
[M+K]+ 591.39626 240.6
[M-H]- 551.42582 232.5
[M+Na-2H]- 573.40777 240.0
[M]+ 552.43255 235.9
[M]- 552.43365 235.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.